SCHEMBL2696243

SCHEMBL2696243

O=C1C=CC(=O)N1c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.65
FAAH O00519 7/20 0.62
HSP90AA1 P07900 5/20 0.56
PKM P14618 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
DDAH1 O94760 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2696242 1.00 MGLL (0.65) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL11410714 0.92 MGLL (0.71) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL8920586 0.80 MGLL (1.00) MGLLFAAHHSP90AA1PKMMAPK1
Benzene SCHEMBL28088808 0.80 MGLL (1.00) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL18713 0.80 MGLL (1.00) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL10904021 0.80 MGLL (0.60) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL11612435 0.78 ALDH1A1 (0.46) MGLLHSP90AA1PKMMAPK1TDP1
Hydrochloric Acid SCHEMBL8536567 0.78 MGLL (0.95) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL15841338 0.78 MGLL (0.95) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL30657178 0.78 MGLL (0.95) MGLLFAAHHSP90AA1PKMMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276107-A1 HYDROGEL SYSTEMS AND METHODS FOR TREATING FISTULA AND OTHER INDICATIONS TERASAKI INSTITUTE FOR BIOMEDICAL INNOVATION (US) 2025-09-04 US claimed
CN-119490721-A Micro-LED laser massive transfer release material and preparation method thereof 深圳市化讯半导体材料有限公司 2025-02-21 CN claimed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO claimed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 US claimed
US-20250276107-A1 HYDROGEL SYSTEMS AND METHODS FOR TREATING FISTULA AND OTHER INDICATIONS TERASAKI INSTITUTE FOR BIOMEDICAL INNOVATION (US) 2025-09-04 US disclosed
CN-119490721-A Micro-LED laser massive transfer release material and preparation method thereof 深圳市化讯半导体材料有限公司 2025-02-21 CN disclosed
CN-115826360-B Photosensitive polyimide composition, method for producing pattern, cured product, and electronic component 江苏艾森半导体材料股份有限公司 2023-09-12 CN disclosed
CN-115826360-A Photosensitive polyimide composition, method for producing pattern, cured product, and electronic component 江苏艾森半导体材料股份有限公司 2023-03-21 CN disclosed
CN-112575115-B SNP molecular marker 51 related to wheat scab resistance and application thereof 山东农业大学 2023-02-17 CN disclosed
CN-110941142-B Photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2021-05-25 CN disclosed
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed
CN-110941142-A Photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2020-03-31 CN disclosed
US-4088645-A O,O-Dialkylphosphoryloxy-2,3,5,8-tetrahydro-1H-s-triazolo[1,2a]pyridazine-1,3-diones HOFFMANN-LA ROCHE INC. (US) 1978-05-09 US disclosed
US-4087488-A Cyano-4-(0,0-dialkylphosphoryloxy)-cyclohex-4-enes HOFFMAN-LA ROCHE INC. (US) 1978-05-02 US disclosed
US-4077985-A 4-(O,O-Diester phosphoryloxy)cyclohex-4-en-1,2-carboxylic anhydrides HOFFMANN-LA ROCHE INC. (US) 1978-03-07 US disclosed
US-4025584-A 1-Acetyl-3(4)-(dihydrocarbylphosphoryloxy)-cyclohex-3-enes HOFFMANN-LA ROCHE INC. (US) 1977-05-24 US disclosed
US-3978171-A PROCESS FOR THE PREPARATION OF DIENYLPHOSPHATES HOFFMANN-LA ROCHE INC. (US) 1976-08-31 US disclosed
US-3978172-A PROCESS FOR THE PREPARATION OF DIENYLPHOSPHATES HOFFMANN-LA ROCHE INC. (US) 1976-08-31 US disclosed
US-3972901-A Diels-Alder type process involving a geminal-dihalocyclopropane and a dienophile ETHYL CORPORATION (US) 1976-08-03 US disclosed
US-3933948-A Dienylphosphates HOFFMANN-LA ROCHE INC. (US) 1976-01-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS MGLL 341/4885FAAH 236/4885HSP90AA1 1076/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.